SCHEMBL31335802

SCHEMBL31335802

COc1cc2c(cc1Br)CC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.49
CMA1 P23946 2/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SRC P12931 2/20 0.46
EGFR P00533 1/20 0.46
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
GSK3B P49841 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31040248 0.93 AHR (0.49) AHRCMA1HTR2AHTR2CHTR2B
SCHEMBL578508 0.86 SRC (0.57) AHRCMA1SRCEGFRCCNB2
SCHEMBL3309794 0.85 CYP11B1 (0.55) HTR2AHTR2CHTR2BGRIN2DGRIN3B
SCHEMBL6136841 0.83 HTR2A (0.47) HTR2AHTR2CHTR2BCCNB2CDK1
SCHEMBL3565605 0.82 TDP2 (0.53) HTR2AHTR2CHTR2BGSK3BGRIN2D
SCHEMBL13619932 0.80 SRC (0.46) AHRCMA1SRCEGFRCCNB2
SCHEMBL4065845 0.80 AHR (0.60) AHRCMA1EIF2AK2PDE3BPDE3A
SCHEMBL28493964 0.79 PDE3B (0.56) AHRCMA1HTR2AHTR2CHTR2B
SCHEMBL30543250 0.79 PDE3B (0.56) AHRCMA1HTR2AHTR2CHTR2B
SCHEMBL4500799 0.77 AHR (0.53) AHRCMA1EIF2AK2PDE3BPDE3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed